3-[1-[3-(4-fluorophenoxy)benzoyl]azetidin-3-yl]-1,3-thiazolidine-2,4-dione

C19H15FN2O4S — CID 91814780

IUPAC3-[1-[3-(4-fluorophenoxy)benzoyl]azetidin-3-yl]-1,3-thiazolidine-2,4-dione
SMILESO=C(c1cccc(Oc2ccc(F)cc2)c1)N1CC(N2C(=O)CSC2=O)C1
InChIInChI=1S/C19H15FN2O4S/c20-13-4-6-15(7-5-13)26-16-3-1-2-12(8-16)18(24)21-9-14(10-21)22-17(23)11-27-19(22)25/h1-8,14H,9-11H2
InChIKeyQDZDSQSJAKCIBL-UHFFFAOYSA-N
MW386.40 g/mol
LogP3.14
Rot. Bonds4

About 3-[1-[3-(4-fluorophenoxy)benzoyl]azetidin-3-yl]-1,3-thiazolidine-2,4-dione

3-[1-[3-(4-fluorophenoxy)benzoyl]azetidin-3-yl]-1,3-thiazolidine-2,4-dione (PubChem CID 91814780) has the molecular formula C19H15FN2O4S and a molecular weight of 386.40 g/mol. Its IUPAC name is 3-[1-[3-(4-fluorophenoxy)benzoyl]azetidin-3-yl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-[3-(4-fluorophenoxy)benzoyl]azetidin-3-yl]-1,3-thiazolidine-2,4-dione
PubChem CID91814780
Molecular FormulaC19H15FN2O4S
Molecular Weight386.40 g/mol
Exact Mass386.07
IUPAC Name3-[1-[3-(4-fluorophenoxy)benzoyl]azetidin-3-yl]-1,3-thiazolidine-2,4-dione
SMILESO=C(c1cccc(Oc2ccc(F)cc2)c1)N1CC(N2C(=O)CSC2=O)C1
InChIInChI=1S/C19H15FN2O4S/c20-13-4-6-15(7-5-13)26-16-3-1-2-12(8-16)18(24)21-9-14(10-21)22-17(23)11-27-19(22)25/h1-8,14H,9-11H2
InChIKeyQDZDSQSJAKCIBL-UHFFFAOYSA-N
XLogP3.14
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(4-fluorophenoxy)benzoyl]azetidin-3-yl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-[1-[3-(4-fluorophenoxy)benzoyl]azetidin-3-yl]-1,3-thiazolidine-2,4-dione (CID 91814780) is 3-[1-[3-(4-fluorophenoxy)benzoyl]azetidin-3-yl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-[1-[3-(4-fluorophenoxy)benzoyl]azetidin-3-yl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-[1-[3-(4-fluorophenoxy)benzoyl]azetidin-3-yl]-1,3-thiazolidine-2,4-dione is O=C(c1cccc(Oc2ccc(F)cc2)c1)N1CC(N2C(=O)CSC2=O)C1.
What is the InChIKey of 3-[1-[3-(4-fluorophenoxy)benzoyl]azetidin-3-yl]-1,3-thiazolidine-2,4-dione?
The InChIKey is QDZDSQSJAKCIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O4S/c20-13-4-6-15(7-5-13)26-16-3-1-2-12(8-16)18(24)21-9-14(10-21)22-17(23)11-27-19(22)25/h1-8,14H,9-11H2.
What are the key properties of 3-[1-[3-(4-fluorophenoxy)benzoyl]azetidin-3-yl]-1,3-thiazolidine-2,4-dione?
3-[1-[3-(4-fluorophenoxy)benzoyl]azetidin-3-yl]-1,3-thiazolidine-2,4-dione has a molecular weight of 386.40 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(4-fluorophenoxy)benzoyl]azetidin-3-yl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 91814780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).